N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide

C11H21N3O — CID 163999465

IUPACN'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide
SMILESC=CCCC(C)C/C(N)=C\NNC(C)=O
InChIInChI=1S/C11H21N3O/c1-4-5-6-9(2)7-11(12)8-13-14-10(3)15/h4,8-9,13H,1,5-7,12H2,2-3H3,(H,14,15)/b11-8+
InChIKeyUHQZYELNUMHRLH-DHZHZOJOSA-N
MW211.31 g/mol
LogP1.42
Rot. Bonds7

About N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide

N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide (PubChem CID 163999465) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide.

Molecular Properties

Compound NameN'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide
PubChem CID163999465
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide
SMILESC=CCCC(C)C/C(N)=C\NNC(C)=O
InChIInChI=1S/C11H21N3O/c1-4-5-6-9(2)7-11(12)8-13-14-10(3)15/h4,8-9,13H,1,5-7,12H2,2-3H3,(H,14,15)/b11-8+
InChIKeyUHQZYELNUMHRLH-DHZHZOJOSA-N
XLogP1.42
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-methylhept-6-enoic acid
CID 11815469
methyl 3-methylhept-6-enoate
CID 19865945
(3R,6S)-3,6-dimethyl-4-oxodec-9-enamide
CID 161131004
(5R)-5-methylnona-1,8-dien-3-one
CID 10582957
2-(hex-5-en-2-ylamino)propanamide
CID 104581628
5,9-dimethyldeca-1,8-diene
CID 12578605
2-methylhex-5-enyl propanoate
CID 139914758
3-(hept-6-en-3-ylamino)butanamide
CID 115867780
N'-(2-methylhex-5-enyl)-2-oxoethanimidamide
CID 146420620
ethyl (5R)-2,5-dimethylnon-8-enoate
CID 89376277
methyl 3-methyltetradec-13-enoate
CID 22752955
methyl (3R)-3-methyltridec-12-enoate
CID 52912715

Frequently Asked Questions

What is the IUPAC name of N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide?
The IUPAC name of N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide (CID 163999465) is N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide.
What is the SMILES notation for N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide?
The canonical SMILES for N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide is C=CCCC(C)C/C(N)=C\NNC(C)=O.
What is the InChIKey of N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide?
The InChIKey is UHQZYELNUMHRLH-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-5-6-9(2)7-11(12)8-13-14-10(3)15/h4,8-9,13H,1,5-7,12H2,2-3H3,(H,14,15)/b11-8+.
What are the key properties of N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide?
N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide has a molecular weight of 211.31 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1E)-2-amino-4-methylocta-1,7-dienyl]acetohydrazide is sourced from PubChem (CID 163999465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).